Structure of PDB 9b6i Chain C Binding Site BS02

Receptor Information
>9b6i Chain C (length=856) Species: 9157 (Parus major) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GDIQFGKYIRLSCETLYDLMTQHWHLKTPNLVISVTGGAKNFALKPRMRK
IFSRLIYIAQSKGAWIFTGGTHYGLMKYIGEVVRDNTISENVVAIGIAAW
GMISNRETDGSFLLYCLDNNHTHLLLVDAKVRTQLEKYISERVIPESNYG
GKIPIVCFAQGGGKETLKSINVAIKSKIPCVVVEGSGRIADVIASLVASS
CVKESLLRFLPRTISRLSEEETESWIKWIKEVLESPHLLTVIKIEEAGDE
IVSNAISFALYKAFSTNEHDRDNWNGQLKLLLEWNQLDLASDEIFTNDRN
WESADLQDVMFTALVKDRPKFVRLFLENGLNLRKFLTTEVLRELYTNNFS
SLVFKNLQIAKNSYNDALLTFVWKMVEDFRRGRHPLQALFIWSVLQNKKE
LSKVIWEQTRGCTLAALGASKLLKSMAKVKNDINAAGESEELANEYETRA
VELFTECYSNDEDLAEQLLTYSCEAWGGSNCLELAVEARDQQFIAQPGVQ
NFLSKQWYGEISRDTKNWKIIMCLLYYVSFFTSPFVVFSWNVIFYIAFLL
LFAYVLLMDFQKEPTALEIILYVLVFVLLCDEWYMNGSKYFSDLWNVMDT
LAIFYFIAGIVFRLHSDESSWYSGRVIFCLDYIVFTLRLIHIFTVSRNLG
PKIIMLQRMMIDVFFFLFLFAVWMVAFGVARQGILRKNEHRWEWIFRSVI
YEPYLAMFGQYPDDIDGTTYNFDRCTFSGNESKPLCVELDANNQPRFPEW
ITIPLVCIYMLSTNILLVNLLVAMFGYTVGSVQENNDQVWKFQRFFLVQE
YNEILAWEAVMKENYLVKINTKANDSSEEMVHRFRQLDAKLSDLKGLLKE
ISSKIK
Ligand information
Ligand IDT14
InChIInChI=1S/C23H19F6N3O/c24-22(25,26)15-7-3-2-6-14(15)13-10-16(23(27,28)29)19-17(11-13)30-20(31-19)18-12-21(33-32-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,30,31)
InChIKeyVSMFCZZEKTVDHM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385FC(F)(F)c1cc(cc2nc([nH]c12)C3=NOC4(CCCCC4)C3)c5ccccc5C(F)(F)F
ACDLabs 12.01C(F)(F)(c1ccccc1c5cc(C(F)(F)F)c4nc(C=2CC3(ON=2)CCCCC3)nc4c5)F
OpenEye OEToolkits 2.0.7c1ccc(c(c1)c2cc(c3c(c2)nc([nH]3)C4=NOC5(C4)CCCCC5)C(F)(F)F)C(F)(F)F
FormulaC23 H19 F6 N3 O
Name3-{7-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl}-1-oxa-2-azaspiro[4.5]dec-2-ene
ChEMBLCHEMBL1650511
DrugBank
ZINCZINC000066100415
PDB chain9b6i Chain B Residue 1205 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB9b6i Mechanisms of sensory adaptation and inhibition of the cold and menthol receptor TRPM8.
Resolution3.26 Å
Binding residue
(original residue number in PDB)		W883 L965 S972
Binding residue
(residue number reindexed from 1)		W673 L755 S762
Annotation score1
External links